Phenol, 4,4'-(1-methylethylidene)bis(2-(2-propen-1-yl)-
Basic information
- CAS
1745-89-7- Standard SMILES
C=CCc1cc(C(C)(C)c2ccc(O)c(CC=C)c2)ccc1O- InChIKey
WOCGGVRGNIEDSZ-UHFFFAOYSA-N- Molecular formula
- C21H24O2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.17763001
Names & identifiers
- Preferred name
- Phenol, 4,4'-(1-methylethylidene)bis(2-(2-propen-1-yl)-
- IUPAC
- 4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol
- English name
- Diallyl bisphenol A
- Molecular formula
- C21H24O2
- Molecular weight
- 308.41
Names & synonyms
1745-89-7Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propenyl)-4,4'-Isopropylidenebis(2-allylphenol)2,2-Bis(4-hydroxy-3-allylphenyl)propaneEINECS 217-121-14,4'-Isopropylidenebis[2-allylphenol]DTXSID1061942EC 217-121-1Phenol, 4,4'-(1-methylethylidene)bis(2-(2-propenyl)-Phenol, 4,4'-(1-methylethylidene)bis(2-(2-propen-1-yl)-Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propen-1-yl)-RefChem:860942
Show more names
DBADABPAO-DABPAALLYL BISPHENOL AO,O'-Diallylbisphenol AOrtho-diallyl Bisphenol A4,4’-(1-methylethylidene)bis[2-(2-propenyl)-phenoS19
DTXCID2035560217-121-14,4'-(Propane-2,2-diyl)bis(2-allylphenol)2,2'-Diallylbisphenol A4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol2,2-Bis(3-allyl-4-hydroxyphenyl)propane4-{2-[4-hydroxy-3-(prop-2-en-1-yl)phenyl]propan-2-yl}-2-(prop-2-en-1-yl)phenol2-allyl-4-[1-(3-allyl-4-hydroxy-phenyl)-1-methyl-ethyl]phenol
Database identifiers
- CAS
1745-89-7- PubChem CID
- 74457
- DTXSID
DTXSID1061942- ChEMBL
CHEMBL230240- UNII
- GQ8ZL3YCS3
- EC Number
- 217-121-1
- Nikkaji
- J23.077D
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 365
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 445.2 · 445.2±40.0 °C(Predicted)
- Density
- 1.08 g/mL · 1.08 g/mL at 25 °C(lit.)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- refractive index
- 20 · n20/D 1.587(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 10.53 · 10.53±0.10(Predicted)
- form
- viscous liquid
- Appearance
- Off-white to yellow Solid-Liquid Mixture
- Water Solubility
- 31.1 mg/L · 31.1mg/L at 20℃
- InChI
- InChI=1S/C21H24O2/c1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2/h5-6,9-14,22-23H,1-2,7-8H2,3-4H3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.6% (4 of 155) of reports.
Danger
H314 (97.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 155 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propen-1-yl)-
Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propen-1-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propen-1-yl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 11-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12478
Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Corr. 1B (97.4%)
Skin corrosion - category 1
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesIntermediate
General Manufacturing Information
Adhesive Manufacturing
Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propen-1-yl)-: ACTIVE
Applications
Usesdiallyl bisphenol A is a kind of modified monomer of thermosetting resin which is mainly used in the modifying and toughening of bismaleimide resin, epoxy resin, phenolic resin etc., and it can enhance the toughness of thermosetting resin greatly. It also can be used as actively diluent of thermosetting resin. The adhesion strength between metal can be further improved when used in rubber.
General Description2,2′-Diallylbisphenol A (DABA) is a diallyl based epoxy modification agent that blends with the resin to improve the mechanical property of the epoxy material. It is majorly used in novalac based resins, which can be further cured with bismaleimides (BMI) for aerospace, electronics and wireless communication based applications.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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